SCHEMBL30797151

SCHEMBL30797151

CCC[C@H]1CCO[C@@H](C)S1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL32678431 1.00 EPHX1 (0.36) EPHX1
SCHEMBL32678430 1.00 EPHX1 (0.36) EPHX1
SCHEMBL238102 1.00 EPHX1 (0.36) EPHX1
SCHEMBL19924614 1.00 EPHX1 (0.36) EPHX1
SCHEMBL238101 1.00 EPHX1 (0.36) EPHX1
SCHEMBL5157013 1.00 EPHX1 (0.36) EPHX1
SCHEMBL238100 1.00 EPHX1 (0.36) EPHX1
SCHEMBL11247489 0.85 EPHX1 (0.53) EPHX1
SCHEMBL11251253 0.78 EPHX1 (0.35) EPHX1
Triethyl Citrate SCHEMBL1326007 0.75 CYP2D6 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117677381-A Fragrance composition 科蒂公司 2024-03-08 CN disclosed